2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide

C10H7Cl2N3OS — CID 53466939

IUPAC2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide
SMILESCN(C(=O)c1cc(Cl)sc1Cl)c1ccnnc1
InChIInChI=1S/C10H7Cl2N3OS/c1-15(6-2-3-13-14-5-6)10(16)7-4-8(11)17-9(7)12/h2-5H,1H3
InChIKeyPPVZHOBELFVLGB-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.12
Rot. Bonds2

About 2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide

2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide (PubChem CID 53466939) has the molecular formula C10H7Cl2N3OS and a molecular weight of 288.16 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide
PubChem CID53466939
Molecular FormulaC10H7Cl2N3OS
Molecular Weight288.16 g/mol
Exact Mass286.97
IUPAC Name2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide
SMILESCN(C(=O)c1cc(Cl)sc1Cl)c1ccnnc1
InChIInChI=1S/C10H7Cl2N3OS/c1-15(6-2-3-13-14-5-6)10(16)7-4-8(11)17-9(7)12/h2-5H,1H3
InChIKeyPPVZHOBELFVLGB-UHFFFAOYSA-N
XLogP3.12
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-2-propan-2-yl-N-pyridazin-4-ylpyrimidine-5-carboxamide
CID 53492979
3-cyclopropyl-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 59607144
N,3-dimethyl-N-pyridazin-4-ylfuran-2-carboxamide
CID 53466944
2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 118030321
5-(methoxymethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 45256628
2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
CID 27746858
5-chloro-2-iodo-N-methyl-N-pyridin-3-ylbenzamide
CID 113236277
2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide
CID 106934198
2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide
CID 62053334
1-(2,5-dichlorothiophen-3-yl)-2,2-dimethylbutan-1-one
CID 62677830
4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 107959663

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide (CID 53466939) is 2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide is CN(C(=O)c1cc(Cl)sc1Cl)c1ccnnc1.
What is the InChIKey of 2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide?
The InChIKey is PPVZHOBELFVLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c1-15(6-2-3-13-14-5-6)10(16)7-4-8(11)17-9(7)12/h2-5H,1H3.
What are the key properties of 2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide?
2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide has a molecular weight of 288.16 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-pyridazin-4-ylthiophene-3-carboxamide is sourced from PubChem (CID 53466939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).